SCHEMBL2408356

SCHEMBL2408356

Cc1c(C(=O)N[C@H](C)c2cccc(C(=O)NO)c2)oc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.48
RAB9A P51151 9/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP3K5 Q99683 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12279941 0.89 HDAC1 (0.50) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2407841 0.87 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2409589 0.87 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2408697 0.79 HDAC1 (0.60) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL14880019 0.78 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2407913 0.77 ALDH1A1 (0.73) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2411785 0.77 ALDH1A1 (0.73) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2406702 0.76 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2407320 0.76 ALDH1A1 (0.47) SMN1; SMN2TP53ALDH1A1HDAC1LMNA
SCHEMBL2409346 0.75 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TP53TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 NPC1 3704/4885RAB9A 2010/4885SMN1; SMN2 975/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 NPC1 3704/4885RAB9A 2010/4885SMN1; SMN2 975/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.